1-Isocyanatopyrrolidine | 151291-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-Isocyanatopyrrolidine
• CAS: 151291-39-3
• 化学式: C₅H₈N₂O
• 分子量: 112.131
• InChiKey: NTDUPZCXYOQPES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Isocyanatopyrrolidine 、 2-氨基对苯二甲酸二甲酯 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Quinazolindione derivatives as potent 5-HT3A receptor antagonists

  摘要：

  5-HT3A receptor antagonists have been used mainly for the treatment of nausea and vomiting. These days, the antagonists are of special interest due to their therapeutic potential to treat other diseases such as depression, psychotic disorder, drug abuse, and irritable bowel syndrome. To discover novel 5-HT3A receptor antagonists, we screened our in-house small molecule library, resulting in identifying the quinazolindione derivatives as potent 5-HT3A receptor antagonists. For the purpose of structure-activity relationship study, 24 quinazolindione analogues were biologically evaluated against 5-HT3A receptor. Among those, KKHT10612 shows the best antagonistic effect against 5-HT3A receptor with an IC50 value of 0.8 mu M which is comparable with that of the reference compound, MDL72222, and selectivity over T-type calcium channel as well. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.029

文献信息

• Quinazolindione derivatives as potent 5-HT3A receptor antagonists
  作者：Byung-Hwan Lee、Min Jung Choi、Mi Na Jo、Hee Jeong Seo、Seung-Yeol Nah、Yong Seo Cho、Ghilsoo Nam、Ae Nim Pae、Hyewhon Rhim、Hyunah Choo

  DOI：10.1016/j.bmc.2009.04.029

  日期：2009.7

  5-HT3A receptor antagonists have been used mainly for the treatment of nausea and vomiting. These days, the antagonists are of special interest due to their therapeutic potential to treat other diseases such as depression, psychotic disorder, drug abuse, and irritable bowel syndrome. To discover novel 5-HT3A receptor antagonists, we screened our in-house small molecule library, resulting in identifying the quinazolindione derivatives as potent 5-HT3A receptor antagonists. For the purpose of structure-activity relationship study, 24 quinazolindione analogues were biologically evaluated against 5-HT3A receptor. Among those, KKHT10612 shows the best antagonistic effect against 5-HT3A receptor with an IC50 value of 0.8 mu M which is comparable with that of the reference compound, MDL72222, and selectivity over T-type calcium channel as well. (C) 2009 Elsevier Ltd. All rights reserved.